2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine

C13H21NO2 — CID 79246934

IUPAC2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine
SMILESCc1cc(C2CNC(C(C)C)CO2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-8(2)12-7-15-13(6-14-12)11-5-9(3)16-10(11)4/h5,8,12-14H,6-7H2,1-4H3
InChIKeyDPAMUEYXPYAAED-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.58
Rot. Bonds2

About 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine

2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine (PubChem CID 79246934) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine
PubChem CID79246934
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine
SMILESCc1cc(C2CNC(C(C)C)CO2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-8(2)12-7-15-13(6-14-12)11-5-9(3)16-10(11)4/h5,8,12-14H,6-7H2,1-4H3
InChIKeyDPAMUEYXPYAAED-UHFFFAOYSA-N
XLogP2.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine (CID 79246934) is 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine is Cc1cc(C2CNC(C(C)C)CO2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine?
The InChIKey is DPAMUEYXPYAAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(2)12-7-15-13(6-14-12)11-5-9(3)16-10(11)4/h5,8,12-14H,6-7H2,1-4H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine?
2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine has a molecular weight of 223.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5-propan-2-ylmorpholine is sourced from PubChem (CID 79246934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).